UCSF

ZINC40770474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.60 3.26 -90.97 4 5 2 53 302.488 5
Hi High (pH 8-9.5) 0.60 -0.32 -8.27 2 5 0 48 300.472 5
Mid Mid (pH 6-8) 0.60 2.06 -45.39 3 5 1 49 301.48 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )